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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C5H10 (2-Pentene, (Z)-)

Other names
2-(Z)-C5H10; (Z)-2-Pentene; 2-Pentene, (Z)-; cis-β-Amylene; cis-2-Pentene; cis-Pentene; (Z)-pent-2-ene;
INChI
InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   202  
Energy 298.15K   173  
Atomization Enthalpy 298.15K x168x
Atomization Enthalpy 0K x173x
Entropy (298.15K) entropy x161x
Entropy at any temperature   161  
Integrated Heat Capacity integrated heat capacity x161x
Heat Capacity (Cp) Heat capacity x161x
Nuclear Repulsion Energy   194  
HOMO-LUMO Energies HOMO energies   188  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  168  
Internal Coordinates bond lengths bond angles x168x
Products of moments of inertia moments of inertia x183x
Rotational Constants rotational constants x188x
Point Group  188 
Vibrations Vibrational Frequencies vibrations  187 
Vibrational Intensities  186 
Zero-point energies  187 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole x162x
Quadrupole quadrupole  157 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1